Detection of H2S, HF and H2 pollutant gases on the surface of penta-PdAs2 monolayer using DFT approach
In this research, the adsorption of targeted noxious gases like H2S, HF and H2 on penta-
PdAs2 monolayer are deeply studied by means of the density functional theory (DFT). After …
PdAs2 monolayer are deeply studied by means of the density functional theory (DFT). After …
A DFT study on the adsorption properties of Ti3C2O2 MXene towards SF6 decomposition gases
A Dong, M Liu - Surface Science, 2023 - Elsevier
Detecting the partial discharge in gas-insulated switchgear (GIS) equipment by detecting the
type and concentration of SF 6 characteristic decomposition products is very important and …
type and concentration of SF 6 characteristic decomposition products is very important and …
DFT study on adsorption of dissolved gas molecules in the transformer oil on Rh-doped MoTe2 monolayer
W Feng, Y Zhang, D Lu, J Zhang, W Zeng… - Molecular …, 2024 - Taylor & Francis
Oil-immersed power transformers generate characteristic gases after failure, Therefore, it is
necessary to analyse and monitor the soluble gases in transformer oil samples. In this study …
necessary to analyse and monitor the soluble gases in transformer oil samples. In this study …
Tailoring gas sensing properties of WS2 monolayer via Nb and Co embedding for highly sensitive and selective detection of HCN and H2S gases: a first principle …
We report on the adsorption performances of HCN, H 2 S, HF, and H 2 gases on Nb and Co
embedded WS 2 monolayer using density functional theory calculations. The adsorption …
embedded WS 2 monolayer using density functional theory calculations. The adsorption …
Enhancement of SnO2 sensitivity to acetone by Au loading: An application of Evans–Polanyi principle in gas sensing
MA Abdulsattar, TH Mahmood - Optik, 2023 - Elsevier
Acetone gas sensitivity enhancement by gold loading on tin dioxide surface pyramids using
density functional theory is discussed in the present work. Arrhenius equations are used with …
density functional theory is discussed in the present work. Arrhenius equations are used with …
A DFT modulated analysis of manganese doped graphene nanoribbons as a potential material for sensing of highly toxic gases CO, PH3 and SbH3
A theoretical Density-functional theory (DFT) study has been carried out to explore the
interaction of highly toxic gases carbon monoxide (CO), phosphine (PH 3) and stibine (SbH …
interaction of highly toxic gases carbon monoxide (CO), phosphine (PH 3) and stibine (SbH …
Transition metal (Ni, Pd and Pt)-embedded graphitic carbon nitride (gCN) monolayer as an acetone sensor: a computational and experimental study
In this work, we presented DFT-based sensing of acetone´ using´ pristine and transition
metal (Ni, Pd & Pt)-embedded graphitic carbon nitride (gCN) and validated it experimentally …
metal (Ni, Pd & Pt)-embedded graphitic carbon nitride (gCN) and validated it experimentally …
Enhanced Acetone Sensing Based on Group-11 Metal (Cu, Ag, and Au) Nanoparticles Embedded in Graphitic Carbon Nitride (gCN)
In this work, a group-11 metal nanoparticle-embedded, graphitic carbon nitride-based,
resistive-type sensor was developed for room temperature acetone sensing. We synthesized …
resistive-type sensor was developed for room temperature acetone sensing. We synthesized …
Computational investigation of Zn doped graphitic carbon nitride (gCN) monolayer for CO2 sensing
In the present work, we have investigated the sensing behavior of pristine graphitic carbon
nitride (gCN) and Zn doped gCN monolayer (Zn-gCN) for CO 2 gas sensing using DFT …
nitride (gCN) and Zn doped gCN monolayer (Zn-gCN) for CO 2 gas sensing using DFT …